Hi AMBER Community!
I am hoping to process trajectories for a 5120-replica
multidimensional-REMD simulation (40 Hamiltonians x 128 Temperatures).
Using the *ensemble *keyword and CPPTRAJ, I am using the following input
script:
parm system.prmtop
ensemble remd.mdcrd.0001
center origin '!(:POPC | :TIP3 | :SOD | :CLA)'
image origin center
trajout ensemble.nc offset 5 netcdf
go
CPPTRAJ is successful in identifying 5120 replicas, but upon beginning
ensemble processing, I hit the error: *"Too many open files." *Does CPPTRAJ
have a maximum number of replicas it can analyze using the *ensemble *keyword?
If so, what would be the best way to go about processing a 5120 M-REMD run?
The error for your reference:
*BEGIN ENSEMBLE PROCESSING:*
*Error: Opening Netcdf file remd.mdcrd.1006 for reading.*
*Error: Could not open replica # 1005, 'remd.mdcrd.1006'*
*Error: Could not open ensemble remd.mdcrd.0001.*
*Too many open files*
Thanks a ton for the help!
Jason
--
Jason Wang
Stanford University, Class of 2018
jwang198.stanford.edu
ᐧ
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Received on Tue May 01 2018 - 17:00:01 PDT
